2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid

C15H22N2O3 — CID 61190716

IUPAC2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(NC(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-10-6-8-11(9-7-10)16-14(20)17-12(13(18)19)15(2,3)4/h6-9,12H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyXFELRXFRLYGSDE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid

2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 61190716) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID61190716
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(NC(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-10-6-8-11(9-7-10)16-14(20)17-12(13(18)19)15(2,3)4/h6-9,12H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyXFELRXFRLYGSDE-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 106900425
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144373
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
(2S)-3,3-dimethyl-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 66354816
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 103928206
2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62003824
(2S)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190553

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 61190716) is 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid is CCc1ccc(NC(=O)NC(C(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is XFELRXFRLYGSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-10-6-8-11(9-7-10)16-14(20)17-12(13(18)19)15(2,3)4/h6-9,12H,5H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid?
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61190716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).